N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide

C18H21ClN2O4S — CID 46446299

IUPACN-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-21(13-14-5-3-7-16(19)11-14)18(22)15-6-4-8-17(12-15)26(23,24)20-9-10-25-2/h3-8,11-12,20H,9-10,13H2,1-2H3
InChIKeyFCMIOVQJEPVWQH-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.54
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide

N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide (PubChem CID 46446299) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
PubChem CID46446299
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-21(13-14-5-3-7-16(19)11-14)18(22)15-6-4-8-17(12-15)26(23,24)20-9-10-25-2/h3-8,11-12,20H,9-10,13H2,1-2H3
InChIKeyFCMIOVQJEPVWQH-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 55579772
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
1-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)-1-methylurea
CID 47127829
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045491
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 35805338

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide (CID 46446299) is N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide is COCCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The InChIKey is FCMIOVQJEPVWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-21(13-14-5-3-7-16(19)11-14)18(22)15-6-4-8-17(12-15)26(23,24)20-9-10-25-2/h3-8,11-12,20H,9-10,13H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide has a molecular weight of 396.90 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 46446299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).